CID 6365617

Sodium 1-acetoxyhexadecenol sulphate

Structural Information

Molecular Formula
C18H34O3
SMILES
CCCCCCCCCCCCCC/C=C(\O)/OC(=O)C
InChI
InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)21-17(2)19/h16,20H,3-15H2,1-2H3/b18-16+
InChIKey
DMKWBHWIWNHTQD-FBMGVBCBSA-N
Compound name
[(E)-1-hydroxyhexadec-1-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2508 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.25808 179.5
[M+Na]+ 321.24002 186.1
[M+NH4]+ 316.28462 184.0
[M+K]+ 337.21396 179.6
[M-H]- 297.24352 176.6
[M+Na-2H]- 319.22547 178.5
[M]+ 298.25025 179.1
[M]- 298.25135 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.